Sisomicin; 5-Epimer

AlkaPlorer ID: AK313642

Synonym: Pentisomicin, 5-Episisomicin, Sch 22591, Antibiotic Sch 22591, Mutamicin 6

IUPAC Name: 2-[4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

Structure

SMILES: CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O

copy

InChI: InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3

copy

InChIKey: URWAJWIAIPFPJE-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 447.5330000000002

TPSA: 213.72

MolLogP: -3.851499999999992

Number of H-Donors: 8

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information